Dear Bruce and Gromacs Users, i am a new user of topolbuild. I am trying to use topolbuild to build *top file, but there is a fatal error report: ----------------------------------- ./topolbuild -n lipid -dir /home/machine/TOM/Study/topbuild/topolbuild1_3/topolbuild1_3/dat/gromacs -ff oplsaa *Fatal error. Source code file: readmol2.c, line: 347 Illegal characters for size information line in mol2 file. *------------------------------------
this is my input lipid.mol2 file ------------------------------ # lipidA # Created by GaussView 4.1.2 # # # @<TRIPOS>MOLECULE Molecule Name 295 296 SMALL NO_CHARGES @<TRIPOS>ATOM 1 C1 1.3941 3.1985 1.4175 C 2 C2 0.4660 3.8836 0.4023 C 3 C3 0.5550 3.1336 -0.9421 C 4 C4 2.0141 2.7081 -1.1988 C 5 C5 2.8367 3.7996 -0.4945 C 6 O6 2.8165 3.5019 0.9891 O ... 293 H293 -6.1018 -17.1193 1.4595 H 294 H294 -3.3596 6.8964 2.0482 H 295 H295 10.1580 3.8367 -2.0184 H @<TRIPOS>BOND 1 1 2 1 2 1 6 1 .... 296 290 293 1 ------------------------ Thanks a lot for your help! Tom
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